Cutting-Edge Theoretical Studies

Dive into peer-reviewed articles on DFT simulations, reaction mechanisms, and ab initio calculations shaping modern chemical science.

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The Invisible Alchemy: How Computational Thermochemistry is Revolutionizing Science

Explore how computational thermochemistry uses quantum mechanics and supercomputers to predict chemical properties, accelerating drug discovery and sustainable technology development.

Sofia Henderson
Oct 23, 2025

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